N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide

C17H22N4O — CID 113047106

IUPACN-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C17H22N4O/c1-5-16(22)19-15-11-10-14(20-21-15)18-13-8-6-12(7-9-13)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyIEKCPPWIQMKPOK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.87
Rot. Bonds4

About N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide

N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide (PubChem CID 113047106) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide.

Molecular Properties

Compound NameN-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
PubChem CID113047106
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)nn1
InChIInChI=1S/C17H22N4O/c1-5-16(22)19-15-11-10-14(20-21-15)18-13-8-6-12(7-9-13)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22)
InChIKeyIEKCPPWIQMKPOK-UHFFFAOYSA-N
XLogP3.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(4-tert-butylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113047111
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
4-tert-butyl-N-[6-(4-cyanoanilino)pyridazin-3-yl]benzamide
CID 113051326
N-[6-[4-(4-methylpiperazin-1-yl)anilino]pyridazin-3-yl]propanamide
CID 113049844
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
1-(4-tert-butylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 122289294
N-[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]propanamide
CID 113050284
N-[6-(pentylamino)pyridazin-3-yl]propanamide
CID 113044628
N-[6-(4-tert-butylanilino)pyridazin-3-yl]methanesulfonamide
CID 113047127
6-(4-acetylanilino)-N-(4-tert-butylphenyl)pyridazine-3-carboxamide
CID 109128335
N-[6-(2-methoxyethylamino)pyridazin-3-yl]propanamide
CID 113039391

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide?
The IUPAC name of N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide (CID 113047106) is N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide.
What is the SMILES notation for N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide?
The canonical SMILES for N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide is CCC(=O)Nc1ccc(Nc2ccc(C(C)(C)C)cc2)nn1.
What is the InChIKey of N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide?
The InChIKey is IEKCPPWIQMKPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-5-16(22)19-15-11-10-14(20-21-15)18-13-8-6-12(7-9-13)17(2,3)4/h6-11H,5H2,1-4H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide?
N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-tert-butylanilino)pyridazin-3-yl]propanamide is sourced from PubChem (CID 113047106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).